<DIV>Dear pwscf users,</DIV>
<DIV> I want to ask a question, when I calculate with pw.x, I use the choice of about spin, that is to say, nspin=2, so I will specify the starting_magnetization. I check the email list, and I find that total_magnetization=(number of unpaired electrons)/(total numbers of electrons), starting_magnetization is the initial value of it. For example, when the system contains Pt, O, H atoms, I specify starting_magnetization=0.2 for Pt atom, starting_magnetization=0.5 for O atom, starting_magnetization=1.0 for H atom. Is it correct and appropriate about my settings?</DIV>
<DIV> </DIV>
<DIV> Thanks in advance</DIV>
<DIV> Lihui Ou</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV><BR>--<BR>
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<DIV><FONT face="Arial" size="3">Lihui Ou</FONT></DIV>
<DIV><FONT face="Arial" size="3">PH.D Candidate in Electrochemistry </FONT></DIV>
<DIV><FONT face="Arial" size="3">College of Chemistry and Molecular Science </FONT></DIV>
<DIV><FONT face="Arial" size="3">Wuhan University,<EM>430072</EM>,Hubei Province,China </FONT></DIV>
<DIV><EM><FONT face="Arial" size="3">E-mail:</FONT><A href="mailto:oulihui666@126.com" target="_blank"><FONT face="Arial" size="3">oulihui666@126.com</FONT></A></EM></DIV>
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